Trajectory 207

Order parameters quality = 0.2318

Computational methods Simulation metadata
System 288POPG_10664SOL_288SOD_298K
Author(s) Favela-Rosales, Fernando
Date 01/11/2021
DOI 10.5281/zenodo.546133
Publication N/A
Force field Slipids
Simulation length (ps) 50020
Trajectory size 642454772
Pre-equilibration time 200
Time left out 0
Temperature (K) 298
Number of particles 68856
Software gromacs
Ions SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288), SOD(288)
Water SOL
Lipids - L1 POPG (144)
Lipids - L2 POPG (144)
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Lipids


POPG
  • Quality total: 0.2318
  • Quality headgroups: 0.116
  • Quality tails: 0.28965
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Related experiments:

Article DOI Internal ID Type Temperature Actions
unpublished/ferreiraPOPG unpublished/ferreiraPOPG/1 OP 298 View
10.5281/zenodo.4748647 10.1021/jacs.1c05549/1 OP 298 View

Order Parameters POPG

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Area per lipid

Form Factor

Experimental and Molecular Dynamics based descriptors

Quality of Order Parameters : 0.2318
OP Quality of headgroups: 0.116
OP Quality of tails: 0.2897
FF Quality: N/A

Bilayer thickness : 3.8 nm
Area per lipid : 65.6 Å2